1-(azepan-1-yl)-2-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-one
1-(azepan-1-yl)-2-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | Y508-4142 |
| Compound Name: | 1-(azepan-1-yl)-2-(4-bromo-3-methyl-1H-pyrazol-1-yl)propan-1-one |
| Molecular Weight: | 314.22 |
| Molecular Formula: | C13 H20 Br N3 O |
| Smiles: | CC(C(N1CCCCCC1)=O)n1cc(c(C)n1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2048 |
| logD: | 2.2048 |
| logSw: | -1.9897 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 32.152 |
| InChI Key: | UHVPLKYGCHHOFZ-NSHDSACASA-N |